3-methyl-6-(2-phenylphenyl)pyridazine

• ChemBase ID: 431974
• Molecular Formular: C17H14N2
• Molecular Mass: 246.30646
• Monoisotopic Mass: 246.11569846
• SMILES: n1nc(ccc1c1c(c2ccccc2)cccc1)C
• Canonical SMILES: Cc1ccc(nn1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C17H14N2/c1-13-11-12-17(19-18-13)16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-12H,1H3
• InChIKey: CQCAMHGNTGIGSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-(2-phenylphenyl)pyridazine
• IUPAC Traditional name: 3-methyl-6-(2-phenylphenyl)pyridazine
• Synonyms: 3-biphenyl-2-yl-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5862017
• LogD (pH = 7.4): 3.5874586
• Log P: 3.5874746
• Molar Refractivity: 78.2563 cm^3
• Polarizability: 32.46497 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.9
• LOG S: -3.47
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2